UCSF

ZINC36637534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 11.48 -52.29 1 8 1 86 454.528 7
Hi High (pH 8-9.5) 3.29 9.17 -16.43 0 8 0 85 453.52 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )